Compound Detail
CHEMBL361277
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Basic Information
| ChEMBL ID | CHEMBL361277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASVJPCQXPWNHDI-OEXSPLCWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
4.30
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.31 | 5.955 | 490.9 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 490.9 | nM | 6.31 | Inhibition of [3H]dopamine uptake into rat striatal synaptosomes | 15857139 |
| Sodium-dependent dopamine transporter | IC50 | = | 2500.0 | nM | 5.6 | Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen | 15857139 |
| Sodium-dependent serotonin transporter | IC50 | = | 3500.0 | nM | 5.46 | Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen | 15857139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857139 | 10.1021/jm0490235 | Sodium-dependent dopamine transporter | 2 |
| 15857139 | 10.1021/jm0490235 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine